Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLEIKELKKSYAIDRGLFKPKRVIHALNGISFEVEQNEVLSIVGESGCGKSTTAKILAGIERQDSGAIYFNGKRHLHFSKQDWFDYRKKVQMIFQDPYSSLNPRWKVGEIIAEPLLLNSHFSKKEIKTKVLEIMQKVGLKLEWIDRYPHQFSGGQRQRIGIARALILHPSVVICDEPVSALDVSIQAQVLNLLLDLQKEMGLTYIFISHDLGVVEHISDKIIVMNQGQIVETGDVDSVISAPKHPYTQKLLNAVPHLEKSMQRFAE
3TUZ Chain:D ((24-271))
--------MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQH-FNLLSSRTVFGNV-ALPLELD-NTPKDEVKRRVTELLSLVGLG-DKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQER
General information:
TITO was launched using:
RESULT:
Template:
3TUZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152994 for 2026 contacts (-75.5/contact) +
2D Compatibility (PS) -26798 + (NN) -8980 + (LL) 1312
1D Compatibility (HY) -20800 + (ID) 4450
Total energy: -212710.0 ( -104.99 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_3TUZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUZ-query.scw
PDB file :
Tito_Scwrl_3TUZ.pdb
: